8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one

C21H33ClN2O2S — CID 118661918

IUPAC8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one
SMILESCOC(C)(C)CCN1CC2(CCC(c3ccc(Cl)s3)(N(C)C)CC2)CC1=O
InChIInChI=1S/C21H33ClN2O2S/c1-19(2,26-5)12-13-24-15-20(14-18(24)25)8-10-21(11-9-20,23(3)4)16-6-7-17(22)27-16/h6-7H,8-15H2,1-5H3
InChIKeyQWLLVHPWXVVISE-UHFFFAOYSA-N
MW413.03 g/mol
LogP4.77
Rot. Bonds6

About 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one

8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one (PubChem CID 118661918) has the molecular formula C21H33ClN2O2S and a molecular weight of 413.03 g/mol. Its IUPAC name is 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one
PubChem CID118661918
Molecular FormulaC21H33ClN2O2S
Molecular Weight413.03 g/mol
Exact Mass412.20
IUPAC Name8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one
SMILESCOC(C)(C)CCN1CC2(CCC(c3ccc(Cl)s3)(N(C)C)CC2)CC1=O
InChIInChI=1S/C21H33ClN2O2S/c1-19(2,26-5)12-13-24-15-20(14-18(24)25)8-10-21(11-9-20,23(3)4)16-6-7-17(22)27-16/h6-7H,8-15H2,1-5H3
InChIKeyQWLLVHPWXVVISE-UHFFFAOYSA-N
XLogP4.77
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.03
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one with MolForge

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Related Compounds

8-(Dimethylamino)-2-[2-(1-methoxycyclobutyl)ethyl]-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one
CID 118662342
8-Dimethylamino-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decane-2-carboxylic acid tert-butyl ester
CID 118661931
8-(Dimethylamino)-8-(5-fluorothiophen-2-yl)-2-[2-(1-methoxycyclopropyl)ethyl]-2-azaspiro[4.5]decan-3-one
CID 118661993
1-[8-Dimethylamino-8-(5-fluorothiophen-2-yl)-3-azaspiro[4.5]decan-3-yl]-3-methoxy-3-methylbutan-1-one
CID 118662289
8-(Dimethylamino)-8-(5-fluorothiophen-2-yl)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one
CID 118662375
8-(5-Chlorothiophen-2-yl)-8-dimethylamino-2-azaspiro[4.5]decan-3-one
CID 118661933
8-(5-Chlorothiophen-2-yl)-8-dimethylamino-3-oxo-2-azaspiro[4.5]decane-2-carboxylic acid tert-butyl ester
CID 118661935
3-Butyl-8-(dimethylamino)-8-thiophen-2-yl-3-azaspiro[4.5]decan-2-one
CID 118661982
8-(Dimethylamino)-2-(3-methoxy-3-methylbutyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one
CID 118661990
8-(Dimethylamino)-3-methyl-8-thiophen-2-yl-3-azaspiro[4.5]decan-2-one
CID 118662018
1-[8-(5-Chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one
CID 118662031
8-(5-Chlorothiophen-2-yl)-8-dimethylamino-3-azaspiro[4.5]decan-4-one
CID 118662034

Frequently Asked Questions

What is the IUPAC name of 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one (CID 118661918) is 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one is COC(C)(C)CCN1CC2(CCC(c3ccc(Cl)s3)(N(C)C)CC2)CC1=O.
What is the InChIKey of 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one?
The InChIKey is QWLLVHPWXVVISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33ClN2O2S/c1-19(2,26-5)12-13-24-15-20(14-18(24)25)8-10-21(11-9-20,23(3)4)16-6-7-17(22)27-16/h6-7H,8-15H2,1-5H3.
What are the key properties of 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one?
8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one has a molecular weight of 413.03 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 118661918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).